Information card for entry 7025408

Structure parameters

• Formula: C64 H58 Cl4 Cu2 Mn4 N12 O30
• Calculated formula: C64 H58 Cl4 Cu2 Mn4 N12 O30
• Title of publication: Two-dimensional assembly of [MnIII2MnII2] single-molecule magnets and [Cu(pic)2] linking units (Hpic = picolinic acid)
• Authors of publication: Jeon, Ie-Rang; Ababei, Rodica; Lecren, Lollita; Li, Yang-Guang; Wernsdorfer, Wolfgang; Roubeau, Olivier; Mathonière, Corine; Clérac, Rodolphe
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4744
• a: 11.968 ± 0.002 Å
• b: 12.369 ± 0.003 Å
• c: 14.349 ± 0.003 Å
• α: 97.2 ± 0.03°
• β: 112.67 ± 0.03°
• γ: 101.36 ± 0.03°
• Cell volume: 1873.5 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No